American Mineralogist Crystal Structure Database

2 matching records for this search.

Roquesite
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Abrahams S C, Bernstein J L
 
Journal of Chemical Physics 59 (1973) 5415-5420
Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure:
Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites
Note: Synthetic sample
_database_code_amcsd 0013005
5.52279 5.52279 11.13295 90 90 90 I-42d
atom      x   y    z   Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu        0   0    0   1.60 .01315 .01315 .00317      0      0      0
In        0   0   .5   1.02 .00851 .00851 .00198      0      0      0
S    .22946 .25 .125   1.02 .00918 .00694 .00210      0      0 -.0019
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View JMOL 3-D Structure (permalink)
 
Roquesite
Download hom/roquesite.pdf
Brandt G, Rauber A, Schneider J
 
Solid State Communications 12 (1973) 481-483
ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2
Locality: Synthetic sample
Note: chalcopyrite structure
_database_code_amcsd 0015450
5.523 5.523 11.12 90 90 90 I-42d
atom    x   y    z
Cu      0   0    0
In      0   0   .5
S    .214 .25 .125
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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